6-morpholin-4-yl-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-morpholin-4-yl-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholino-pyridin-1-ium-3-carboxamide CAS Name: 6-(4-morpholinyl)-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholino-pyridin-1-ium-3-carboxamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H28N4O3/c27-22(19-6-7-21(23-14-19)26-9-11-28-12-10-26)24-15-20-17-25(8-13-29-20)16-18-4-2-1-3-5-18/h1-7,14,20H,8-13,15-17H2,(H,24,27)/p+2/t20-/m0/s1